Geometry & MOs

Info

ID:	329562
PubChem CID:	126738321
Reduced:	N4O6H22C25 (1)
Stoich.:	A4B6C22D25 (1)
Weight, g/mol:	292.066636
ΔH_f, kcal/mol:	-62.08
Dipole, Da:	11.96
IP(EA), eV:	-8.57(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-4-(3-chloro-5-fluorophenoxy)-7-methyl-2,3-dihydro-1H-inden-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])OC3=C4C=C(C(=CC4=NC=C3)OC)OC

DOS

IR

Vibrations